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Low-temperature, high-resolution crystal structure study of tricyclo[3.3.1.13,7]decan-2-ol (adamantanol-2)

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Abstract

The structure of the title compound (C10H15OH) was determined by X-ray diffraction at liquid nitrogen temperature. The crystals are triclinic, spacegroupP¯1 witha=11.3686(5),b=11.3990(5),c=11.4353(6) Å,α=82.193(4),β=70.211(4) and γ=62.279(4)°,V c =1233.9(1) Å3,Z=6,F(000)=504,D x =1.229 g cm−3; Mo radiation, λ=0.71073 Å,μ(Mo)=0.7 cm−1. FinalR factor=0.046 andwR=0.062 for 8162 reflections withI>2.5σ(I). The asymmetric unit consists of three independent adamantanol-2 molecules which together with the three symmetry-related molecules form a cluster having pseudo ¯3 symmetry. The six molecules in the cluster are connected by six O-H⋯O hydrogen bonds, the oxygens of which constitute an almost ideal chair conformation.

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Kanters, J.A., Hooft, R.W.W. & Duisenberg, A.J.M. Low-temperature, high-resolution crystal structure study of tricyclo[3.3.1.13,7]decan-2-ol (adamantanol-2). Journal of Crystallographic and Spectroscopic Research 20, 123–131 (1990). https://doi.org/10.1007/BF01160963

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